2-fluoro-3,4-bis(trifluoromethyl)pyridine

• ChemBase ID: 54671
• Molecular Formular: C7H2F7N
• Molecular Mass: 233.0863024
• Monoisotopic Mass: 233.00754661
• SMILES: c1(c(c(ccn1)C(F)(F)F)C(F)(F)F)F
• Canonical SMILES: Fc1nccc(c1C(F)(F)F)C(F)(F)F
• InChI: InChI=1S/C7H2F7N/c8-5-4(7(12,13)14)3(1-2-15-5)6(9,10)11/h1-2H
• InChIKey: WSWPEPLPDVBJGA-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-fluoro-3,4-bis(trifluoromethyl)pyridine
• IUPAC Traditional name: 2-fluoro-3,4-bis(trifluoromethyl)pyridine
• Synonyms: 2-Fluoro-3,4-bis(trifluoromethyl)pyridine

Database IDs

• MDL Number: MFCD14525497
• PubChem SID: 162059434
• PubChem CID: 45790953

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 3.047903
• LogD (pH = 7.4): 3.047903
• Log P: 3.047903
• Molar Refractivity: 37.0796 cm^3
• Polarizability: 12.557137 Å^3
• Polar Surface Area: 12.89 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• TSCA Listed: false

Product Information

• Purity: 95%